ethane;N-(2-ethenylcyclohexen-1-yl)methanimine

C11H19N — CID 142183833

IUPACethane;N-(2-ethenylcyclohexen-1-yl)methanimine
SMILESC=CC1=C(N=C)CCCC1.CC
InChIInChI=1S/C9H13N.C2H6/c1-3-8-6-4-5-7-9(8)10-2;1-2/h3H,1-2,4-7H2;1-2H3
InChIKeyKYEZFNMXRYMRLF-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.73
Rot. Bonds2

About ethane;N-(2-ethenylcyclohexen-1-yl)methanimine

ethane;N-(2-ethenylcyclohexen-1-yl)methanimine (PubChem CID 142183833) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is ethane;N-(2-ethenylcyclohexen-1-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(2-ethenylcyclohexen-1-yl)methanimine
PubChem CID142183833
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Nameethane;N-(2-ethenylcyclohexen-1-yl)methanimine
SMILESC=CC1=C(N=C)CCCC1.CC
InChIInChI=1S/C9H13N.C2H6/c1-3-8-6-4-5-7-9(8)10-2;1-2/h3H,1-2,4-7H2;1-2H3
InChIKeyKYEZFNMXRYMRLF-UHFFFAOYSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-ethenylcyclohexen-1-yl)methanimine?
The IUPAC name of ethane;N-(2-ethenylcyclohexen-1-yl)methanimine (CID 142183833) is ethane;N-(2-ethenylcyclohexen-1-yl)methanimine.
What is the SMILES notation for ethane;N-(2-ethenylcyclohexen-1-yl)methanimine?
The canonical SMILES for ethane;N-(2-ethenylcyclohexen-1-yl)methanimine is C=CC1=C(N=C)CCCC1.CC.
What is the InChIKey of ethane;N-(2-ethenylcyclohexen-1-yl)methanimine?
The InChIKey is KYEZFNMXRYMRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C2H6/c1-3-8-6-4-5-7-9(8)10-2;1-2/h3H,1-2,4-7H2;1-2H3.
What are the key properties of ethane;N-(2-ethenylcyclohexen-1-yl)methanimine?
ethane;N-(2-ethenylcyclohexen-1-yl)methanimine has a molecular weight of 165.28 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-ethenylcyclohexen-1-yl)methanimine is sourced from PubChem (CID 142183833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).